Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL1325415 | 0.91 | — | — | |
| Sulfuric Acid SCHEMBL6429950 | 0.88 | CA5A (0.38) | CA5ACA5BTSHR | |
| Naphthalene SCHEMBL7042461 | 0.85 | ALDH1A1 (0.38) | TSHRESR1SMN1; SMN2ALDH1A1KDM4E | |
| Benzene SCHEMBL3079882 | 0.82 | TSHR (0.31) | TSHRALDH1A1 | |
| Sulfuric Acid SCHEMBL28266753 | 0.81 | CA5A (0.32) | CA5ACA5B | |
| SCHEMBL2839261 | 0.80 | TSHR (0.64) | CA5ACA5BTSHRESR1SMN1; SMN2 | |
| Benzene SCHEMBL15796842 | 0.78 | CYP2C19 (0.30) | TSHRALDH1A1CYP2C19 | |
| Benzene SCHEMBL9502655 | 0.78 | CA5A (0.33) | CA5ACA5BTSHRESR1SMN1; SMN2 | |
| SCHEMBL27493971 | 0.76 | CA2 (0.32) | — | |
| SCHEMBL11619107 | 0.76 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060160707-A1 | Aluminum metal machining fluid lubricating concentrate | STEVEN E. RAYFIELD. | 2006-07-20 | — | — | US | claimed |
| US-4537708-A | SODIUM POLYPHOSPHATED AND ANIONIC SURFACTANT | FMC CORPORATION (US) | 1985-08-27 | — | — | US | claimed |
| CN-112608718-A | Anti-slip agent | 郑州聚砼汇实业有限公司 | 2021-04-06 | — | — | CN | disclosed |
| US-8241414-B2 | Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus | BROTHER KOGYO KABUSHIKI KAISHA (JP) | 2012-08-14 | — | — | US | disclosed |
| EP-0766146-B1 | Image forming apparatus | CANON KK (JP) | 2011-04-06 | — | — | EP | disclosed |
| US-20100242794-A1 | Water-Based Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus | BROTHER KOGYO KABUSHIKI KAISHA (JP) | 2010-09-30 | — | — | US | disclosed |
| US-20060160707-A1 | Aluminum metal machining fluid lubricating concentrate | STEVEN E. RAYFIELD. | 2006-07-20 | — | — | US | disclosed |
| US-20060160707-A1 | Aluminum metal machining fluid lubricating concentrate | STEVEN E. RAYFIELD. | 2006-07-20 | — | — | US | disclosed |
| US-5837414-A | BLEND OF COLORED PARTICLES AND BINDER | KONICA CORPORATION | 1998-11-17 | — | — | US | disclosed |
| US-5835821-A | Image forming apparatus | CANON KABUSHIKI KAISHA (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0766146-A2 | Image forming apparatus | CANON KABUSHIKI KAISHA (JP) | 1997-04-02 | — | — | EP | disclosed |
| US-5232620-A | Wetting the anhydrous granules obtained from heating the sodium orthophosphate with a quantity of water, drying to expel unbound water | FMC CORPORATION (US) | 1993-08-03 | — | — | US | disclosed |
| EP-0501101-A2 | Sodium tripolyphosphate composition and method of producing it | FMC CORPORATION (US) | 1992-09-02 | — | — | EP | disclosed |
| US-4544494-A | Homogeneous laundry detergent slurries containing amphoteric surface-active agents | FMC CORPORATION (US) | 1985-10-01 | — | — | US | disclosed |
| US-4537708-A | SODIUM POLYPHOSPHATED AND ANIONIC SURFACTANT | FMC CORPORATION (US) | 1985-08-27 | — | — | US | disclosed |